N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C19H18F2N2O3 — CID 60525098

IUPACN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)C1=NOC(c2ccccc2)C1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O3/c1-12(13-7-9-15(10-8-13)25-19(20)21)22-18(24)16-11-17(26-23-16)14-5-3-2-4-6-14/h2-10,12,17,19H,11H2,1H3,(H,22,24)
InChIKeyJCCMREBEVCJOEG-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.98
Rot. Bonds6

About N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 60525098) has the molecular formula C19H18F2N2O3 and a molecular weight of 360.36 g/mol. Its IUPAC name is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID60525098
Molecular FormulaC19H18F2N2O3
Molecular Weight360.36 g/mol
Exact Mass360.13
IUPAC NameN-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCC(NC(=O)C1=NOC(c2ccccc2)C1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H18F2N2O3/c1-12(13-7-9-15(10-8-13)25-19(20)21)22-18(24)16-11-17(26-23-16)14-5-3-2-4-6-14/h2-10,12,17,19H,11H2,1H3,(H,22,24)
InChIKeyJCCMREBEVCJOEG-UHFFFAOYSA-N
XLogP3.98
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 2877039
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237052
N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3237488
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3238182
N-benzyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3245926
N-(4-methoxybenzyl)-4-phenylbutanamide
CID 885951
N-(4-methoxybenzyl)-3-(4-methoxyphenyl)-4,5-dihydroisoxazole-5-carboxamide
CID 3236601
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 5219120
trans-N-benzyl-2-((S)-1-hydroxy-3-(4-(trifluoromethoxy)phenyl)propyl)cyclopentanecarboxamide
CID 11640384
3-(3-fluorophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681860
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681863
N-[(4-methoxyphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16681872

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 60525098) is N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CC(NC(=O)C1=NOC(c2ccccc2)C1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is JCCMREBEVCJOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O3/c1-12(13-7-9-15(10-8-13)25-19(20)21)22-18(24)16-11-17(26-23-16)14-5-3-2-4-6-14/h2-10,12,17,19H,11H2,1H3,(H,22,24).
What are the key properties of N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 360.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 60525098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).